N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide

C23H31N3O4S — CID 170623094

IUPACN-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(N(Cc2ccccc2)C(=O)c2cc(OC)ccn2)CC1
InChIInChI=1S/C23H31N3O4S/c1-3-4-16-31(28,29)25-14-11-20(12-15-25)26(18-19-8-6-5-7-9-19)23(27)22-17-21(30-2)10-13-24-22/h5-10,13,17,20H,3-4,11-12,14-16,18H2,1-2H3
InChIKeyHNUMQIVVXLFABV-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.33
Rot. Bonds9

About N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide

N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide (PubChem CID 170623094) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide
PubChem CID170623094
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(N(Cc2ccccc2)C(=O)c2cc(OC)ccn2)CC1
InChIInChI=1S/C23H31N3O4S/c1-3-4-16-31(28,29)25-14-11-20(12-15-25)26(18-19-8-6-5-7-9-19)23(27)22-17-21(30-2)10-13-24-22/h5-10,13,17,20H,3-4,11-12,14-16,18H2,1-2H3
InChIKeyHNUMQIVVXLFABV-UHFFFAOYSA-N
XLogP3.33
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)isoquinoline-3-carboxamide
CID 170623149
N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 170623135
N-(1-butylsulfonylpiperidin-4-yl)-N-(1H-pyrrol-2-ylmethyl)isoquinoline-3-carboxamide
CID 170623183
1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 55980735
N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
CID 38283237
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
N-(1-butylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 170623097
N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
CID 167780143
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide (CID 170623094) is N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide is CCCCS(=O)(=O)N1CCC(N(Cc2ccccc2)C(=O)c2cc(OC)ccn2)CC1.
What is the InChIKey of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide?
The InChIKey is HNUMQIVVXLFABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-4-16-31(28,29)25-14-11-20(12-15-25)26(18-19-8-6-5-7-9-19)23(27)22-17-21(30-2)10-13-24-22/h5-10,13,17,20H,3-4,11-12,14-16,18H2,1-2H3.
What are the key properties of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide?
N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 170623094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).